2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone

C16H16FNOS — CID 138533631

IUPAC2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1ccc(F)c2ccccc12)N1CCSCC1
InChIInChI=1S/C16H16FNOS/c17-15-6-5-12(13-3-1-2-4-14(13)15)11-16(19)18-7-9-20-10-8-18/h1-6H,7-11H2
InChIKeyKSECOKILORSOPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone

2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 138533631) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone
PubChem CID138533631
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1ccc(F)c2ccccc12)N1CCSCC1
InChIInChI=1S/C16H16FNOS/c17-15-6-5-12(13-3-1-2-4-14(13)15)11-16(19)18-7-9-20-10-8-18/h1-6H,7-11H2
InChIKeyKSECOKILORSOPU-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone (CID 138533631) is 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone is O=C(Cc1ccc(F)c2ccccc12)N1CCSCC1.
What is the InChIKey of 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is KSECOKILORSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-15-6-5-12(13-3-1-2-4-14(13)15)11-16(19)18-7-9-20-10-8-18/h1-6H,7-11H2.
What are the key properties of 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone?
2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoronaphthalen-1-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 138533631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).